2-amino-9-(3-aminoprop-2-enyl)-1H-purin-6-one

C8H10N6O — CID 173024562

IUPAC2-amino-9-(3-aminoprop-2-enyl)-1H-purin-6-one
SMILESNC=CCn1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C8H10N6O/c9-2-1-3-14-4-11-5-6(14)12-8(10)13-7(5)15/h1-2,4H,3,9H2,(H3,10,12,13,15)
InChIKeyFRMPIVZYJQERQG-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.83
Rot. Bonds2

About 2-amino-9-(3-aminoprop-2-enyl)-1H-purin-6-one

2-amino-9-(3-aminoprop-2-enyl)-1H-purin-6-one (PubChem CID 173024562) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-amino-9-(3-aminoprop-2-enyl)-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-(3-aminoprop-2-enyl)-1H-purin-6-one
PubChem CID173024562
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name2-amino-9-(3-aminoprop-2-enyl)-1H-purin-6-one
SMILESNC=CCn1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C8H10N6O/c9-2-1-3-14-4-11-5-6(14)12-8(10)13-7(5)15/h1-2,4H,3,9H2,(H3,10,12,13,15)
InChIKeyFRMPIVZYJQERQG-UHFFFAOYSA-N
XLogP-0.83
TPSA115.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[(E)-5-(2-amino-6-oxo-1H-purin-9-yl)pent-3-enyl]phosphonic acid
CID 135416385
2-amino-9-ethyl-1H-purin-6-one
CID 135415584
2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride
CID 162422020
2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol
CID 153365638
2-amino-9-(6-hydroxyhexyl)-1H-purin-6-one
CID 135415593
2-amino-9-(3,3-dibromopropyl)-1H-purin-6-one
CID 175411910
2-amino-9-[2-[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethoxymethoxy]ethoxymethyl]-1H-purin-6-one
CID 138393908
2-amino-9-octyl-1H-purin-6-one
CID 135415590
2-amino-9-[(3R)-3-fluoro-4-hydroxybutyl]-1H-purin-6-one
CID 136756733
2-amino-9-[(2,2-dimethylcyclopropyl)methyl]-1H-purin-6-one
CID 174463450
2-amino-9-[12-(2-amino-6-oxo-1H-purin-9-yl)dodeca-5,7-diynyl]-1H-purin-6-one
CID 136682581
2-amino-9-[2-(2-aminoethoxy)ethoxymethyl]-1H-purin-6-one
CID 135465380

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-(3-aminoprop-2-enyl)-1H-purin-6-one?
The IUPAC name of 2-amino-9-(3-aminoprop-2-enyl)-1H-purin-6-one (CID 173024562) is 2-amino-9-(3-aminoprop-2-enyl)-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-(3-aminoprop-2-enyl)-1H-purin-6-one?
The canonical SMILES for 2-amino-9-(3-aminoprop-2-enyl)-1H-purin-6-one is NC=CCn1cnc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-9-(3-aminoprop-2-enyl)-1H-purin-6-one?
The InChIKey is FRMPIVZYJQERQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c9-2-1-3-14-4-11-5-6(14)12-8(10)13-7(5)15/h1-2,4H,3,9H2,(H3,10,12,13,15).
What are the key properties of 2-amino-9-(3-aminoprop-2-enyl)-1H-purin-6-one?
2-amino-9-(3-aminoprop-2-enyl)-1H-purin-6-one has a molecular weight of 206.21 g/mol, XLogP of -0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-(3-aminoprop-2-enyl)-1H-purin-6-one is sourced from PubChem (CID 173024562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).